SCHEMBL4071829

SCHEMBL4071829

COC(=O)[C@@H]1C[C@@H](N)CN1c1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GFER P55789 2/20 0.32
▸ TSHR P16473 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ TP53 P04637 3/20 0.31
▸ LMNA P02545 3/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HSD11B1 P28845 1/20 0.30
▸ MMP2 P08253 2/20 0.30
▸ ANPEP P15144 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL589692 0.95 SMN1; SMN2 (0.33) MAPTSMN1; SMN2TP53LMNA
SCHEMBL590375 0.91 MAPT (0.37) MAPTSMN1; SMN2GFERTSHRUSP2
SCHEMBL4072249 0.91 MAPT (0.34) MAPTSMN1; SMN2GFERTSHRUSP2
Trifluoroacetic Acid SCHEMBL2672126 0.86 C1S (0.32) —
Trifluoroacetic Acid SCHEMBL9902969 0.83 MAPT (0.31) MAPTSMN1; SMN2
SCHEMBL588890 0.82 MAPT (0.36) MAPTGFERTSHRRPS6KB1CA12
SCHEMBL588903 0.81 CNR1 (0.33) MMP2
SCHEMBL4063471 0.81 CNR1 (0.39) MAPTSMN1; SMN2GFERLMNAGAA
SCHEMBL589889 0.81 GAA (0.41) MAPTGFERLMNAALDH1A1GAA
SCHEMBL4071626 0.80 MAPT (0.35) MAPTGFERGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 — — US disclosed
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 — — US disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 — — US disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 — — US disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT MAPT 2212/4885SMN1; SMN2 833/4885GFER 1222/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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